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	hartrees
Energy at 0K	-176.788321
Energy at 298.15K
HF Energy	-176.788321
Nuclear repulsion energy	67.043229

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3318	3175	2.25	37.48	0.70	0.82
2	A'	3247	3106	11.31	114.94	0.24	0.39
3	A'	3221	3082	1.80	35.02	0.17	0.30
4	A'	1760	1684	78.21	11.62	0.10	0.18
5	A'	1483	1419	3.59	3.97	0.59	0.74
6	A'	1387	1327	0.69	17.26	0.62	0.77
7	A'	1203	1151	61.51	2.76	0.17	0.29
8	A'	970	928	22.64	4.89	0.38	0.55
9	A'	481	460	3.46	1.86	0.68	0.81
10	A"	1026	982	21.05	1.27	0.75	0.86
11	A"	953	912	95.02	1.50	0.75	0.86
12	A"	747	714	0.99	10.07	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.430
C2	1.198	-0.117
F3	-1.157	-0.299
H4	-0.179	1.497
H5	1.327	-1.190
H6	2.077	0.510

	C1	C2	F3	H4	H5	H6
C1		1.3173	1.3679	1.0810	2.0942	2.0780
C2	1.3173		2.3619	2.1217	1.0801	1.0794
F3	1.3679	2.3619		2.0448	2.6384	3.3331
H4	1.0810	2.1217	2.0448		3.0797	2.4623
H5	2.0942	1.0801	2.6384	3.0797		1.8575
H6	2.0780	1.0794	3.3331	2.4623	1.8575

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H5	121.421	C1	C2	H6	119.907
C2	C1	F3	123.175	C2	C1	H4	124.124
F3	C1	H4	112.701	H5	C2	H6	118.672

All results from a given calculation for CH₂CHF (Ethene, fluoro-)

using model chemistry: B1B95/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Number	Element	Mulliken
1	C	0.103
2	C	-0.491
3	F	-0.288
4	H	0.220
5	H	0.234
6	H	0.223

	x	y	z	Total
	1.172	0.859	0.000	1.453
CHELPG
AIM
ESP

	x	y	z
x	4.138	-0.449	0.000
y	-0.449	2.930	0.000
z	0.000	0.000	0.978

<r²>	43.300
(<r²>)^1/2	6.580

All results from a given calculation for CH2CHF (Ethene, fluoro-)

using model chemistry: B1B95/3-21G

States and conformations

All results from a given calculation for CH₂CHF (Ethene, fluoro-)